Task 38687459
| Name | test_721-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5509_0 |
| Workunit | 31628849 |
| Created | 28 Oct 2026, 7:55:40 UTC |
| Sent | 28 Oct 2026, 7:55:44 UTC |
| Report deadline | 2 Nov 2026, 7:55:44 UTC |
| Received | 28 Oct 2026, 9:52:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550227 |
| Run time | 1 hours 28 min 42 sec |
| CPU time | 1 hours 15 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,806.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.71 MB |
| Peak swap size | 5.24 GB |
| Peak disk usage | 3.39 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:26:57 (13892): wrapper (7.9.26016): starting
01:26:57 (13892): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
01:27:01 (13892): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:27:01 (13892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
02:51:54 (13892): C:/Windows/system32/cmd.exe exited; CPU time 4553.312500
02:51:54 (13892): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 74759049 bytes.
Dumping objects ->
{3835221} normal block at 0x00000230DCB308B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x00000230DCB31480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x00000230DCB30CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x00000230DCB31020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x00000230DCB307D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x00000230DCBDD760, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835133} normal block at 0x00000230DB046810, 8 bytes long.
Data: < •Ü0 > 00 00 95 DC 30 02 00 00
{3833949} normal block at 0x00000230DB046130, 8 bytes long.
Data: <p‰ÃÜ0 > 70 89 C3 DC 30 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000230DB0513D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000230DB03B730, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000230DB052D20, 16 bytes long.
Data: <XG Û0 > 58 47 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000230DB053360, 16 bytes long.
Data: <0G Û0 > 30 47 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000230DB04ABA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000230DB052FF0, 16 bytes long.
Data: < G Û0 > 08 47 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000230DB052CD0, 16 bytes long.
Data: <àF Û0 > E0 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230DB052780, 16 bytes long.
Data: <¸F Û0 > B8 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000230DB052F00, 16 bytes long.
Data: < F Û0 > 90 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000230DB04CA90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000230DB0525A0, 16 bytes long.
Data: <X¿ Û0 > 58 BF 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000230DB04B440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000230DB052550, 16 bytes long.
Data: <0¿ Û0 > 30 BF 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230DB052C30, 16 bytes long.
Data: < ¿ Û0 > 08 BF 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230DB053180, 16 bytes long.
Data: <ྠÛ0 > E0 BE 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000230DB052B40, 16 bytes long.
Data: <¸¾ Û0 > B8 BE 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230DB0532C0, 16 bytes long.
Data: < ¾ Û0 > 90 BE 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000230DB052BE0, 16 bytes long.
Data: <h¾ Û0 > 68 BE 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000230DB04ACC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000230DB0524B0, 16 bytes long.
Data: <@¾ Û0 > 40 BE 03 DB 30 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000230DB03BE40, 320 bytes long.
Data: <°$ Û0 À¬ Û0 > B0 24 05 DB 30 02 00 00 C0 AC 04 DB 30 02 00 00
{270} normal block at 0x00000230DB0531D0, 16 bytes long.
Data: <pF Û0 > 70 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000230DB052730, 16 bytes long.
Data: <HF Û0 > 48 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000230DB04AC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000230DB052FA0, 16 bytes long.
Data: < F Û0 > 20 46 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230DB04B0E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000230DB052AA0, 16 bytes long.
Data: <hE Û0 > 68 45 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000230DB052EB0, 16 bytes long.
Data: <@E Û0 > 40 45 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000230DB052A00, 16 bytes long.
Data: < E Û0 > 18 45 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000230DB0530E0, 16 bytes long.
Data: <ðD Û0 > F0 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000230DB0529B0, 16 bytes long.
Data: <ÈD Û0 > C8 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000230DB052DC0, 16 bytes long.
Data: < D Û0 > A0 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000230DB052460, 16 bytes long.
Data: <PÌ Û0 > 50 CC 04 DB 30 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000230DB04CC50, 40 bytes long.
Data: <`$ Û0 `×½Ü0 > 60 24 05 DB 30 02 00 00 60 D7 BD DC 30 02 00 00
{256} normal block at 0x00000230DB0533B0, 16 bytes long.
Data: < D Û0 > 80 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000230DB052500, 16 bytes long.
Data: <XD Û0 > 58 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000230DB04B140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000230DB053310, 16 bytes long.
Data: <0D Û0 > 30 44 05 DB 30 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000230DB054430, 992 bytes long.
Data: < 3 Û0 @± Û0 > 10 33 05 DB 30 02 00 00 40 B1 04 DB 30 02 00 00
{88} normal block at 0x00000230DB04AE40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000230DB046090, 16 bytes long.
Data: <àË Û0 > E0 CB 04 DB 30 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000230DB04CBE0, 40 bytes long.
Data: < ` Û0 @® Û0 > 90 60 04 DB 30 02 00 00 40 AE 04 DB 30 02 00 00
{65} normal block at 0x00000230DB045FA0, 16 bytes long.
Data: < êQÉ÷ > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000230DB046220, 16 bytes long.
Data: <@éQÉ÷ > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000230DB046900, 16 bytes long.
Data: <øWNÉ÷ > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000230DB046720, 16 bytes long.
Data: <ØWNÉ÷ > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000230DB045E60, 16 bytes long.
Data: <P NÉ÷ > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000230DB045F50, 16 bytes long.
Data: <0 NÉ÷ > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000230DB045F00, 16 bytes long.
Data: <à NÉ÷ > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000230DB0468B0, 16 bytes long.
Data: < NÉ÷ > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000230DB046180, 16 bytes long.
Data: <p NÉ÷ > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000230DB046310, 16 bytes long.
Data: < ÀLÉ÷ > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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